tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate

C21H28N4O4 — CID 78847777

IUPACtert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate
SMILESCc1nc(C2(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CCCC2)no1
InChIInChI=1S/C21H28N4O4/c1-14-22-18(25-29-14)21(11-5-6-12-21)24-17(26)13-15-7-9-16(10-8-15)23-19(27)28-20(2,3)4/h7-10H,5-6,11-13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyVFYTTYDSRGKOOS-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.85
Rot. Bonds5

About tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate (PubChem CID 78847777) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate
PubChem CID78847777
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Nametert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate
SMILESCc1nc(C2(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CCCC2)no1
InChIInChI=1S/C21H28N4O4/c1-14-22-18(25-29-14)21(11-5-6-12-21)24-17(26)13-15-7-9-16(10-8-15)23-19(27)28-20(2,3)4/h7-10H,5-6,11-13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyVFYTTYDSRGKOOS-UHFFFAOYSA-N
XLogP3.85
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
CID 166403701
3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 31164348
ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate
CID 51112701
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 60514358
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869869
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
CID 31163791
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55622293
2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55672501
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate (CID 78847777) is tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate is Cc1nc(C2(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CCCC2)no1.
What is the InChIKey of tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate?
The InChIKey is VFYTTYDSRGKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14-22-18(25-29-14)21(11-5-6-12-21)24-17(26)13-15-7-9-16(10-8-15)23-19(27)28-20(2,3)4/h7-10H,5-6,11-13H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate has a molecular weight of 400.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 78847777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).